Acetate → Methyl 3-(2,6-difluorophenyl)-1-(4-methylphenyl)-1H-indazole-6-carboxylate

HRID 1145677Notes

Reaction equation

HRID 1145677 reaction equation
[Br:1][c:2]1[n:3][n:4](-[c:15]2[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[c:5]2[cH:6][c:7]([C:11](=[O:12])[O:13][CH3:14])[cH:8][cH:9][c:10]12.[C:33](=[O:34])([O-:35])[O-:36].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Cl:39][Cu:40].[Cs+:37].[Cs+:38].[F:22][c:23]1[c:24]([B:30]([OH:31])[OH:32])[c:25]([F:29])[cH:26][cH:27][cH:28]1.[O-:42][C:43]([CH3:44])=[O:45].[O-:46][C:47]([CH3:48])=[O:49].[Pd+2:41]>>[c:2]1(-[c:24]2[c:23]([F:22])[cH:28][cH:27][cH:26][c:25]2[F:29])[n:3][n:4](-[c:15]2[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[c:5]2[cH:6][c:7]([C:11](=[O:12])[O:13][CH3:14])[cH:8][cH:9][c:10]12

Participants

9

Reactant 8

HCID 175Acetate2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 62652Cuprous chlorideHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343362,6-Difluorophenylboronic acidHCID 66661548methyl 3-bromo-1-(4-methylphenyl)-1H-indazole-6-carboxylate

Product 1

HCID 66661289Methyl 3-(2,6-difluorophenyl)-1-(4-methylphenyl)-1H-indazole-6-carboxylate

Sources & evidence

ORD record
ord-b7bec8890b3f4c51a6466fca67a5d42f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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